Volume 1 Chapter 2 The Instruction Document

Back to Table of Contents

2.6 Search Fields And Associated Keywords

Each type of information which can be searched by QUEST and QUEST3D is called a search field. At present there are some 70 search fields but only a restricted number of these are commonly used. Some of the more commonly used search fields are listed below.

Each search field is identified by a keyword preceded by *

In the list below

Some search fields are not necessarily of value on their own but are used, in conjunction with other search fields, to restrict the number of hits. For example, you would not normally wish to find all entries having R-factor less than 0.075. However, if you propose to make a detailed geometrical study of steroids then you might restrict the hits to those entries having R < 0.075 ie. the most accurate determinations.

Note that the publication volume and page are text search fields. Although these fields normally have numeric values there are situations involving values such as 45A, L37 etc. For this reason these two fields must be treated as text fields.

   *KEYWORD      SEARCH FIELD
 
1.  *NAME        Compound name and synonym
2.  *XNAME       Compound name and synonym, ignoring non-alphabetic characters
3.  *AUTHOR      Author's name
4.  *SURNAME     Author's surname
5.  *VOLUME      Publication volume
6.  *PAGE        Publication page
7.  *SPACEGROUP  Space group symbol
8.  *REFCODE     Reference code
 
9.  *ADATE       Accession date ie. date when entry was added to the database
10. *CODEN       Publication coden (each journal has a coden number)
11. *YEAR        Publication year
12. *BCLASS      Basic chemical class
13. *CLAS S      Chemical class (any)
14. *MAXATOMICNO Maximum atomic number
15. *SPGNUMBER   Space group number (according to International Tables for
                                     Crystallography)
16. *ZVALUE      Z value, ie. number of formula units per unit cell
17. *ZPRIME      Z' value, ie. number of formula units per asymmetric unit
18. *INTFLAG     Intensity measurement flag
19. *RFACTOR     R-factor
20. *SIGFLAG     Average esd for C-C bond lengths
21. *MATFLAG     Connectivity matching flag
22. *COORDINATES Number of atoms for which entry contains atomic coordinates
 
23. *CONNSER     Chemical connectivity

As noted earlier, only the first four alphabetic characters of the keyword need be specified.

Back to Table of Contents

Volume 1 Chapter 2 Search Tests Part 1.